3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane

C15H24N4 — CID 107590166

IUPAC3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane
SMILESc1ncc(N2CCCNC(C3CCCCC3)C2)cn1
InChIInChI=1S/C15H24N4/c1-2-5-13(6-3-1)15-11-19(8-4-7-18-15)14-9-16-12-17-10-14/h9-10,12-13,15,18H,1-8,11H2
InChIKeyIEGYONOHDGHVBO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.23
Rot. Bonds2

About 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane

3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane (PubChem CID 107590166) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane
PubChem CID107590166
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane
SMILESc1ncc(N2CCCNC(C3CCCCC3)C2)cn1
InChIInChI=1S/C15H24N4/c1-2-5-13(6-3-1)15-11-19(8-4-7-18-15)14-9-16-12-17-10-14/h9-10,12-13,15,18H,1-8,11H2
InChIKeyIEGYONOHDGHVBO-UHFFFAOYSA-N
XLogP2.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane?
The IUPAC name of 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane (CID 107590166) is 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane.
What is the SMILES notation for 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane?
The canonical SMILES for 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane is c1ncc(N2CCCNC(C3CCCCC3)C2)cn1.
What is the InChIKey of 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane?
The InChIKey is IEGYONOHDGHVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-5-13(6-3-1)15-11-19(8-4-7-18-15)14-9-16-12-17-10-14/h9-10,12-13,15,18H,1-8,11H2.
What are the key properties of 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane?
3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane has a molecular weight of 260.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane is sourced from PubChem (CID 107590166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).